CID 673703

2-(3,4-dimethoxyphenyl)quinoline-4-carboxylic acid

Structural Information

Molecular Formula
C18H15NO4
SMILES
COC1=C(C=C(C=C1)C2=NC3=CC=CC=C3C(=C2)C(=O)O)OC
InChI
InChI=1S/C18H15NO4/c1-22-16-8-7-11(9-17(16)23-2)15-10-13(18(20)21)12-5-3-4-6-14(12)19-15/h3-10H,1-2H3,(H,20,21)
InChIKey
XJSXKUVHNQWOPH-UHFFFAOYSA-N
Compound name
2-(3,4-dimethoxyphenyl)quinoline-4-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

3
References

113
Patents

309.1001 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 310.10738 170.1
[M+Na]+ 332.08932 179.0
[M-H]- 308.09282 175.7
[M+NH4]+ 327.13392 183.8
[M+K]+ 348.06326 175.1
[M+H-H2O]+ 292.09736 161.2
[M+HCOO]- 354.09830 189.9
[M+CH3COO]- 368.11395 205.0
[M+Na-2H]- 330.07477 174.8
[M]+ 309.09955 173.8
[M]- 309.10065 173.8
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe